SCHEMBL2981856

SCHEMBL2981856

Cc1nccnc1C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.41
PTPN1 P18031 4/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 2/20 0.32
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
PRKCI P41743 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL5569174 0.98 GSK3B (0.39) GSK3BPTPN1P2RX7ALDH1A1KMT2A
SCHEMBL27964366 0.81 PTGS2 (0.36) P2RX7ALDH1A1KMT2AMAPTMEN1
SCHEMBL14683977 0.79 P2RX7 (0.34) P2RX7ALDH1A1KMT2AMAPTKDM4E
SCHEMBL20436419 0.78 LMNA (0.40) P2RX7ALDH1A1KMT2AMAPTKDM4E
SCHEMBL17205267 0.77 GSK3B (0.39) GSK3BPTPN1
SCHEMBL4973075 0.76 GSK3B (0.34) GSK3BPTPN1ALDH1A1KMT2APRKCI
SCHEMBL5518273 0.75 KDM4E (0.36) P2RX7ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6170342 0.75 GSK3B (0.41) GSK3BPTPN1ALDH1A1KMT2AMAPT
SCHEMBL10558381 0.75 GAA (0.35) P2RX7ALDH1A1KMT2AMAPTMEN1
SCHEMBL29601119 0.75 RAB9A (0.41) GSK3BPTPN1P2RX7ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738163-B1 AMIDINE COMPOUND OR SALT THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-20 EP disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2014-06-05 US disclosed
EP-2738163-A1 AMIDINE COMPOUND OR SALT THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2014-06-04 EP disclosed
EP-2738163-A1 AMIDINE COMPOUND OR SALT THEREOF Taisho Pharmaceutical Co., Ltd. (JP) 2014-06-04 EP disclosed
WO-2013018735-A1 AMIDINE COMPOUND OR SALT THEREOF 大正製薬株式会社 (JP) 2013-02-07 WO disclosed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US disclosed
WO-2007002126-A1 ALKYL SULFONAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2007-01-04 WO disclosed
US-20060293341-A1 Alkyl sulfonamide derivatives H. LUNDBECK A/S (DK) 2006-12-28 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
EP-1480976-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-01 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
US-6686381-B2 COMPOUNDS THAT ANTAGONIZE NEUROPEPTIDE Y AT THE Y5 RECEPTOR SUBTYPE REPRESENT AN APPROACH TO THE TREATMENT OF EATING DISORDERS SUCH AS OBESITY AND HYPERPHAGIA HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030225141-A1 THIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003072577-A1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043083-A1 Thiazolyl piperidine derivatives HRH3, HRH4, H1-3 GSK3B 2584/4885PTPN1 1830/4885P2RX7 145/4885
US-20060293341-A1 Alkyl sulfonamide derivatives NPY5R, NPY1R, NPY4R GSK3B 1701/4885PTPN1 263/4885P2RX7 103/4885
US-20030225141-A1 THIAZOLE DERIVATIVES SLC5A1, GPR119, TAS1R1 GSK3B 2175/4885PTPN1 220/4885P2RX7 3713/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 GSK3B 2533/4885PTPN1 991/4885P2RX7 93/4885
US-20140155597-A1 AMIDINE COMPOUND OR SALT THEREOF ERG28, ARG1, THEM6 GSK3B 4722/4885PTPN1 2151/4885P2RX7 3539/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.